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CAS 5085-07-4 GLUTARALDEHYDE 2,4-DINITROPHENYLHYDRAZONE molecular structure lightbox
CAS RN: 5085-07-4

GLUTARALDEHYDE 2,4-DINITROPHENYLHYDRAZONE

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260626 100mg Out of stock 8-10 business days Inquiry
Batchno.20251019 100mg In stock Inquiry
Batchno.20260125 20mg In stock Inquiry
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Batchno.20250124 5mg In stock Inquiry
  • Product code: starshine_CAS5085-07-4
  • Purity/Analytical Methods: >99.0%
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5085-07-4 / N-[5-[(2,4-dinitrophenyl)hydrazinylidene]pentylideneamino]-2,4-dinitroaniline

Standard CAS: 5085-07-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5085-07-4
Multi CAS
Yes
Molecular Formula
C17H16N8O8
Molecular Weight
460.400000
Exact Mass
460.109110
InChI
InChI=1S/C17H16N8O8/c26-22(27)12-4-6-14(16(10-12)24(30)31)20-18-8-2-1-3-9-19-21-15-7-5-13(23(28)29)11-17(15)25(32)33/h4-11,20-21H,1-3H2
InChIKey
QAUJHIMXYLFORD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
12
H-bond acceptors
12
H-bond donors
2
Molar refractivity
117.58
TPSA
221.34

LogP / Solubility

WLOGP
3.99
MLOGP
3.54
XLogP3
4.2
Consensus LogP
3.91
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.4
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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